A1BX5
Summary
| Name: | N-{[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| Formula: | C11 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 250.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1nc(cs1)C(C)C)c1cc[NH]n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N4OS/c1-7(2)9-6-17-10(14-9)5-12-11(16)8-3-4-13-15-8/h3-4,6-7H,5H2,1-2H3,(H,12,16)(H,13,15) |
| InChIKey | InChI | 1.06 | DSTUBGXRLPKGTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1csc(CNC(=O)c2cc[nH]n2)n1 |
| SMILES | CACTVS | 3.385 | CC(C)c1csc(CNC(=O)c2cc[nH]n2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1csc(n1)CNC(=O)c2cc[nH]n2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)c1csc(n1)CNC(=O)c2cc[nH]n2 |
